1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 115436694

IUPAC1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccccn1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21N3O3/c19-13(20)15(7-3-1-4-8-15)11-18-14(21)17-10-12-6-2-5-9-16-12/h2,5-6,9H,1,3-4,7-8,10-11H2,(H,19,20)(H2,17,18,21)
InChIKeyBCTVNEOMXOWQPX-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.92
Rot. Bonds5

About 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436694) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID115436694
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccccn1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H21N3O3/c19-13(20)15(7-3-1-4-8-15)11-18-14(21)17-10-12-6-2-5-9-16-12/h2,5-6,9H,1,3-4,7-8,10-11H2,(H,19,20)(H2,17,18,21)
InChIKeyBCTVNEOMXOWQPX-UHFFFAOYSA-N
XLogP1.92
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
1-[(1,3-thiazol-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309764
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856

Frequently Asked Questions

What is the IUPAC name of 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 115436694) is 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCc1ccccn1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BCTVNEOMXOWQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-13(20)15(7-3-1-4-8-15)11-18-14(21)17-10-12-6-2-5-9-16-12/h2,5-6,9H,1,3-4,7-8,10-11H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).